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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL599691
Molecular formulaC24H23FN2O2
IUPAC name5-fluoro-3-[1-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
Molecular weight390.458
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL5472999
5-fluoro-3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
BDBM50306468
Inchi KeyAGCRUJCLQRUZLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23FN2O2/c1-28-19-3-4-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-5-2-18(25)12-21(22)23/h2-6,12-15,26H,7-11H2,1H3
PubChem CID11474777
ChEMBLCHEMBL599691
IUPHARN/A
BindingDB50306468
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
47725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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